2-methoxy-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methoxy-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-methoxy-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-methoxy-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methoxy-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-methoxy-nicotinamide Formula: C18H20N4O3 MolecularWeight: 340.3764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H20N4O3/c1-25-18-15(3-2-8-20-18)17(24)21-11-13-4-6-14(7-5-13)22-10-9-19-16(23)12-22/h2-8H,9-12H2,1H3,(H,19,23)(H,21,24)